4-[(4Z)-4-[[2-(2-ethoxy-2-oxidanylidene-ethoxy)phenyl]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid

Systemtic Name: 4-[(4Z)-4-[[2-(2-ethoxy-2-oxidanylidene-ethoxy)phenyl]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 4-[(4Z)-4-[[2-(2-ethoxy-2-oxo-ethoxy)phenyl]methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 4-[(4Z)-4-[[2-(2-ethoxy-2-oxoethoxy)phenyl]methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 4-[(4Z)-4-[[2-(2-ethoxy-2-oxoethoxy)phenyl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 4-[(4Z)-4-[2-(2-ethoxy-2-keto-ethoxy)benzylidene]-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C22H20N2O6 MolecularWeight: 408.404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=CC=CC=C1C=C2C(=NN(C2=O)C3=CC=C(C=C3)C(=O)O)C

Isomeric SMILES

CCOC(=O)COC1=CC=CC=C1/C=C\2/C(=NN(C2=O)C3=CC=C(C=C3)C(=O)O)C

InChI

InChI=1S/C22H20N2O6/c1-3-29-20(25)13-30-19-7-5-4-6-16(19)12-18-14(2)23-24(21(18)26)17-10-8-15(9-11-17)22(27)28/h4-12H,3,13H2,1-2H3,(H,27,28)/b18-12-